SCHEMBL3712949

SCHEMBL3712949

Cc1ccc2cccnc2c1OC1CCN(C(=O)OCC(C)C)CC1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 8/20 0.44
GAA P10253 1/20 0.42
ATM Q13315 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
ALOX12 P18054 1/20 0.42
MPI P34949 1/20 0.42
ESR2 Q92731 1/20 0.42
TLR9 Q9NR96 1/20 0.42
TLR8 Q9NR97 1/20 0.42
TLR7 Q9NYK1 1/20 0.42
PIK3CD O00329 1/20 0.41
NOS2 P35228 1/20 0.41
HRH1 P35367 1/20 0.40
SLC6A15 Q9H2J7 1/20 0.40
ALOX15 P16050 1/20 0.39
MAPK1 P28482 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3711023 0.89 GPR119 (0.42) GPR119GAAATMKDM4EALDH1A1
SCHEMBL3712947 0.83 GPR119 (0.49) GPR119PIK3CD
SCHEMBL18318910 0.82 GPR119 (0.45) GPR119GAAATMKDM4EALDH1A1
SCHEMBL3709889 0.82 GPR119 (0.45) GPR119TLR9TLR8TLR7HRH1
Hydrochloric Acid SCHEMBL18318133 0.81 GPR119 (0.44) GPR119GAAATMKDM4EALDH1A1
SCHEMBL3708950 0.80 GPR119 (0.45) GPR119HRH1
SCHEMBL3651433 0.79 HRH1 (0.44) GPR119HRH1
SCHEMBL3648875 0.79 HRH1 (0.46) GPR119HRH1SLC6A15
SCHEMBL3711292 0.78 HRH1 (0.51) HRH1
SCHEMBL3720029 0.78 KDM4E (0.45) GPR119KDM4ELMNAMAPTPIK3CD

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010094643-A1 QUINOLINE DERIVATIVES AND THEIR USES FOR RHINITIS AND URTICARIA GLAXO GROUP LIMITED (GB) 2010-08-26 WO disclosed